2-(2,6-difluorophenyl)-5-(1-ethyl-3-phenylpyrazol-5-yl)-1H-indole

C25H19F2N3 — CID 51037925

IUPAC2-(2,6-difluorophenyl)-5-(1-ethyl-3-phenylpyrazol-5-yl)-1H-indole
SMILESCCn1nc(-c2ccccc2)cc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1
InChIInChI=1S/C25H19F2N3/c1-2-30-24(15-22(29-30)16-7-4-3-5-8-16)17-11-12-21-18(13-17)14-23(28-21)25-19(26)9-6-10-20(25)27/h3-15,28H,2H2,1H3
InChIKeyBNTLUNRFZRPKOP-UHFFFAOYSA-N
MW399.44 g/mol
LogP6.66
Rot. Bonds4

About 2-(2,6-difluorophenyl)-5-(1-ethyl-3-phenylpyrazol-5-yl)-1H-indole

2-(2,6-difluorophenyl)-5-(1-ethyl-3-phenylpyrazol-5-yl)-1H-indole (PubChem CID 51037925) has the molecular formula C25H19F2N3 and a molecular weight of 399.44 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-5-(1-ethyl-3-phenylpyrazol-5-yl)-1H-indole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-5-(1-ethyl-3-phenylpyrazol-5-yl)-1H-indole
PubChem CID51037925
Molecular FormulaC25H19F2N3
Molecular Weight399.44 g/mol
Exact Mass399.15
IUPAC Name2-(2,6-difluorophenyl)-5-(1-ethyl-3-phenylpyrazol-5-yl)-1H-indole
SMILESCCn1nc(-c2ccccc2)cc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1
InChIInChI=1S/C25H19F2N3/c1-2-30-24(15-22(29-30)16-7-4-3-5-8-16)17-11-12-21-18(13-17)14-23(28-21)25-19(26)9-6-10-20(25)27/h3-15,28H,2H2,1H3
InChIKeyBNTLUNRFZRPKOP-UHFFFAOYSA-N
XLogP6.66
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.44
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-5-(1-ethyl-3-phenylpyrazol-5-yl)-1H-indole?
The IUPAC name of 2-(2,6-difluorophenyl)-5-(1-ethyl-3-phenylpyrazol-5-yl)-1H-indole (CID 51037925) is 2-(2,6-difluorophenyl)-5-(1-ethyl-3-phenylpyrazol-5-yl)-1H-indole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-5-(1-ethyl-3-phenylpyrazol-5-yl)-1H-indole?
The canonical SMILES for 2-(2,6-difluorophenyl)-5-(1-ethyl-3-phenylpyrazol-5-yl)-1H-indole is CCn1nc(-c2ccccc2)cc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1.
What is the InChIKey of 2-(2,6-difluorophenyl)-5-(1-ethyl-3-phenylpyrazol-5-yl)-1H-indole?
The InChIKey is BNTLUNRFZRPKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2N3/c1-2-30-24(15-22(29-30)16-7-4-3-5-8-16)17-11-12-21-18(13-17)14-23(28-21)25-19(26)9-6-10-20(25)27/h3-15,28H,2H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-5-(1-ethyl-3-phenylpyrazol-5-yl)-1H-indole?
2-(2,6-difluorophenyl)-5-(1-ethyl-3-phenylpyrazol-5-yl)-1H-indole has a molecular weight of 399.44 g/mol, XLogP of 6.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-5-(1-ethyl-3-phenylpyrazol-5-yl)-1H-indole is sourced from PubChem (CID 51037925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).